SCHEMBL28753629

SCHEMBL28753629

O=C(NCCN1CCC(O)(CCc2ccccc2)CC1)Nc1cc(C2CC2)nc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 18/20 0.64
SLC6A2 P23975 2/20 0.64
SLC6A4 P31645 2/20 0.64
ADRA2A P08913 1/20 0.64
DRD2 P14416 1/20 0.64
HTR2A P28223 1/20 0.64
HTR2C P28335 1/20 0.64
TMEM97 Q5BJF2 1/20 0.64
SIGMAR1 Q99720 1/20 0.64
CCR3 P51677 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4862944 0.91 UTS2R (0.76) UTS2RSLC6A2SLC6A4ADRA2ADRD2
SCHEMBL28753630 0.87 UTS2R (0.83) UTS2RSLC6A2SLC6A4ADRA2ADRD2
Palosuran SCHEMBL1363480 0.78 UTS2R (1.00) UTS2RSLC6A2SLC6A4ADRA2ADRD2
Palosuran SCHEMBL29441424 0.78 UTS2R (1.00) UTS2RSLC6A2SLC6A4ADRA2ADRD2
Palosuran SCHEMBL29441419 0.75 UTS2R (1.00) UTS2RSLC6A2SLC6A4ADRA2ADRD2
Palosuran SCHEMBL5265025 0.75 UTS2R (1.00) UTS2RSLC6A2SLC6A4ADRA2ADRD2
Palosuran SCHEMBL1364658 0.75 UTS2R (0.98) UTS2RSLC6A2SLC6A4ADRA2ADRD2
Palosuran SCHEMBL1364002 0.75 UTS2R (0.98) UTS2RSLC6A2SLC6A4ADRA2ADRD2
Palosuran SCHEMBL1363165 0.75 UTS2R (0.98) UTS2RSLC6A2SLC6A4ADRA2ADRD2
SCHEMBL6198206 0.74 UTS2R (0.75) UTS2RSLC6A2SLC6A4ADRA2ADRD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100424082-C 4- (piperidinyl-pyrrolidinyl-alkyl-ureido) -quinolines as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2008-10-08 CN claimed
CN-1617869-A 4-(piperidyl- and pyrrolidyl-alkyl-ureido) -quinolines as urotensin ii receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2005-05-18 CN claimed
CN-100424082-C 4- (piperidinyl-pyrrolidinyl-alkyl-ureido) -quinolines as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2008-10-08 CN disclosed
CN-1617869-A 4-(piperidyl- and pyrrolidyl-alkyl-ureido) -quinolines as urotensin ii receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2005-05-18 CN disclosed